General Information of the Compound
| Compound ID |
CP0444397
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| Compound Name |
2-[[(2aS,8R,8aR)-3-(3-fluorobenzoyl)-2,2a,8,8a-tetrahydro-1H-cyclobuta[b]quinolin-8-yl]-cyclopropylcarbamoyl]oxyacetic acid
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| Structure |
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| Formula |
C24H23FN2O5
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| Molecular Weight |
438.455
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| Canonical SMILES |
OC(=O)COC(=O)N(C1CC1)[C@@H]1[C@@H]2CC[C@@H]2N(C(=O)c2cccc(F)c2)c2ccccc12
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| InChI |
InChI=1S/C24H23FN2O5/c25-15-5-3-4-14(12-15)23(30)27-19-7-2-1-6-17(19)22(18-10-11-20(18)27)26(16-8-9-16)24(31)32-13-21(28)29/h1-7,12,16,18,20,22H,8-11,13H2,(H,28,29)/t18-,20+,22+/m1/s1
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| InChIKey |
VELZONCZRYAUCY-CBQOVEMMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound